Basic information
- Standard SMILES
CCOC(=O)C=C(CBr)Oc1ccc(OC)cc1- InChIKey
QOXYWFSLUKJAEV-UHFFFAOYSA-N- Molecular formula
- C13H15BrO4
- Average molar mass
- 315.16 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-(4-methoxy-phenoxy)-but-2-enoic acid ethyl ester
- IUPAC
- ethyl 4-bromo-3-(4-methoxyphenoxy)but-2-enoate
Names & synonyms
SCHEMBL1069032QOXYWFSLUKJAEV-UHFFFAOYSA-N4-bromo-3-(4-methoxy-phenoxy)-but-2-enoic acid ethyl ester
Database identifiers
- PubChem CID
- 66895435
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
4 records
Compound notes
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